[6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine

C13H16N4O3 — CID 80917651

IUPAC[6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
SMILESCOc1cc(OC)cc(Oc2ncnc(NN)c2C)c1
InChIInChI=1S/C13H16N4O3/c1-8-12(17-14)15-7-16-13(8)20-11-5-9(18-2)4-10(6-11)19-3/h4-7H,14H2,1-3H3,(H,15,16,17)
InChIKeyCRNLNQJRKQXPKE-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.88
Rot. Bonds5

About [6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine

[6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 80917651) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is [6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
PubChem CID80917651
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name[6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
SMILESCOc1cc(OC)cc(Oc2ncnc(NN)c2C)c1
InChIInChI=1S/C13H16N4O3/c1-8-12(17-14)15-7-16-13(8)20-11-5-9(18-2)4-10(6-11)19-3/h4-7H,14H2,1-3H3,(H,15,16,17)
InChIKeyCRNLNQJRKQXPKE-UHFFFAOYSA-N
XLogP1.88
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 104708877
[6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80930752
[6-(2-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80916535
[6-(4-ethylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80915337
[5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920169
[5-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116806942
[6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80924994
[6-(2,5-difluorophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80924404
[5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine
CID 80910587
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
[5-methyl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116806862
[5-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-yl]hydrazine
CID 80915965

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine (CID 80917651) is [6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine is COc1cc(OC)cc(Oc2ncnc(NN)c2C)c1.
What is the InChIKey of [6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is CRNLNQJRKQXPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8-12(17-14)15-7-16-13(8)20-11-5-9(18-2)4-10(6-11)19-3/h4-7H,14H2,1-3H3,(H,15,16,17).
What are the key properties of [6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine?
[6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 276.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80917651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).